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	hartrees
Energy at 0K	-435.463859
Energy at 298.15K	-435.463655
Nuclear repulsion energy	37.677637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	2988	7.12
2	A'	1115	1092	10.29
3	A'	864	846	56.63

Atom	x (Å)	y (Å)
C1	0.036	1.094
H2	-0.795	1.822
S3	0.036	-0.524

	C1	H2	S3
C1		1.1044	1.6179
H2	1.1044		2.4884
S3	1.6179	2.4884

Number	Element	Mulliken
1	C	-0.355
2	H	0.200
3	S	0.155

All results from a given calculation for HCS (Thioformyl radical)

using model chemistry: LSDA/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.236	0.694	0.000	1.417
CHELPG
AIM
ESP

	x	y	z
x	2.083	-0.243	0.000
y	-0.243	5.765	0.000
z	0.000	0.000	1.824

<r²>	0.000
(<r²>)^1/2	0.000